Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL28078384 | 0.97 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| Butyl Alcohol SCHEMBL4214240 | 0.94 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| Butyl Alcohol SCHEMBL27647661 | 0.94 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| Butyl Alcohol SCHEMBL6237046 | 0.94 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| Butyl Alcohol SCHEMBL27759707 | 0.94 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| Butyl Alcohol SCHEMBL1440709 | 0.94 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| Butyl Alcohol SCHEMBL5096968 | 0.92 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| Hexane SCHEMBL8466180 | 0.92 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| Butyl Alcohol SCHEMBL5028714 | 0.92 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2LMNATSHRHSD17B10 | |
| Butyl Alcohol SCHEMBL195732 | 0.91 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105732414-A | AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD | 三井化学AGRO株式会社 | 2016-07-06 | — | — | CN | disclosed |